ethyl 1-[(3,4-dichlorophenyl)methyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[(3,4-dichlorophenyl)methyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[(3,4-dichlorophenyl)methyl]-6-oxo-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 1-[(3,4-dichlorophenyl)methyl]-6-oxo-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3,4-dichlorophenyl)methyl]-6-oxo-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 1-(3,4-dichlorobenzyl)-6-keto-2-(phenethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C22H20Cl2N2O3S MolecularWeight: 463.3768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC2=CC(=C(C=C2)Cl)Cl)SCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC2=CC(=C(C=C2)Cl)Cl)SCCC3=CC=CC=C3

InChI

InChI=1S/C22H20Cl2N2O3S/c1-2-29-21(28)17-13-25-22(30-11-10-15-6-4-3-5-7-15)26(20(17)27)14-16-8-9-18(23)19(24)12-16/h3-9,12-13H,2,10-11,14H2,1H3